CID 3070246

4'-chloro-8-((diethylamino)methyl)-7-methoxy-3-methylflavone

Structural Information

Molecular Formula
C22H24ClNO3
SMILES
CCN(CC)CC1=C(C=CC2=C1OC(=C(C2=O)C)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C22H24ClNO3/c1-5-24(6-2)13-18-19(26-4)12-11-17-20(25)14(3)21(27-22(17)18)15-7-9-16(23)10-8-15/h7-12H,5-6,13H2,1-4H3
InChIKey
LWLNYRLTTRMKJI-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.14447 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15175 193.9
[M+Na]+ 408.13369 204.0
[M-H]- 384.13719 203.9
[M+NH4]+ 403.17829 207.3
[M+K]+ 424.10763 199.9
[M+H-H2O]+ 368.14173 185.3
[M+HCOO]- 430.14267 211.8
[M+CH3COO]- 444.15832 228.1
[M+Na-2H]- 406.11914 196.1
[M]+ 385.14392 203.8
[M]- 385.14502 203.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.